7-<(2-methoxyethoxy)methyl>-3-methylxanthine | 115077-00-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 咪唑并嘧啶类
• 英文名称: 7-<(2-methoxyethoxy)methyl>-3-methylxanthine
• 英文别名: 7-(2-methoxyethoxymethyl)-3-methylpurine-2,6-dione
• CAS: 115077-00-4
• 化学式: C₁₀H₁₄N₄O₄
• 分子量: 254.246
• InChiKey: RDLOCKCGWBCZKS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -1
• 重原子数：
  18
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  85.7
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  7β-(chloroacetoxy)-8,13-epoxy-1α,6β,9α-trihydroxylabd-14-en-11-one 、 7-<(2-methoxyethoxy)methyl>-3-methylxanthine 在 potassium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 生成 [(3R,4aR,5S,6S,6aS,10S,10aR,10bS)-3-ethenyl-6,10,10b-trihydroxy-3,4a,7,7,10a-pentamethyl-1-oxo-5,6,6a,8,9,10-hexahydro-2H-benzo[f]chromen-5-yl] 2-[7-(2-methoxyethoxymethyl)-3-methyl-2,6-dioxopurin-1-yl]acetate
  参考文献：
  名称：

  Cardiovascular effects of new water-soluble derivatives of forskolin

  摘要：

  A series of 6- and 7-aminoacyl derivatives of 7-deacetylforskolin was prepared to provide water-soluble derivatives of the potent cardioactive diterpenoid forskolin. The compounds were evaluated for positive inotropic and blood pressure lowering properties in pharmacological models. Several derivatives displayed potent positive inotropic activity in guinea pig atria (EC50 = 0.16-3.0 micrograms/mL). In the most active compounds, the amino moiety of the aminoacyl chain corresponded to a cyclic amine, and the acyl moiety to a C2-C4 alkanoyl group. In vivo biological evaluation led to the selection of 6-(piperidinoacetyl)-7-deacetylforskolin hydrochloride (49) as a candidate for clinical development.

  DOI：

  10.1021/jm00118a002

文献信息

• KHANDELWAL, Y.;RAJESHWARI, K.;RAJAGOPALAN, R.;SWAMY, LAKSHMI;DOHADWALLA, +, J. MED. CHEM., 31,(1988) N 10, C. 1872-1879
  作者：KHANDELWAL, Y.、RAJESHWARI, K.、RAJAGOPALAN, R.、SWAMY, LAKSHMI、DOHADWALLA, +

  DOI：——

  日期：——